AG00BUNN

28186-62-1 | 3-IODO-5-TRIFLUOROMETHYLBENZOIC ACID

AG00BUNN

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CAS Number	28186-62-1
Catalog Number	AG00BUNN(AGN-PC-00Q29P)
Chemical Name	3-IODO-5-TRIFLUOROMETHYLBENZOIC ACID
IUPAC Name	3-iodo-5-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4F3IO2/c9-8(10,11)5-1-4(7(13)14)2-6(12)3-5/h1-3H,(H,13,14)
InChI Key	WKBZOFRUGGDTEU-UHFFFAOYSA-N
MDL Number	MFCD08448293
Molecular Formula	C8H4F3IO2
Molecular Weight	316.0158
SMILES	O=C(O)C1=CC(C(F)(F)F)=CC(I)=C1
Synonyms	3-iodo-5-(trifluoromethyl)benzoic acid, 28186-62-1, AC1Q72T3, SCHEMBL2771570, WKBZOFRUGGDTEU-UHFFFAOYSA-N, MFCD08448293, ZINC34616858, AKOS005067647, AB45405, MCULE-2392561160, NE41656, AJ-89780, PS-11437, Benzoic acid, 3-iodo-5-(trifluoromethyl)-, 3-IODO-5-TRIFLUOROMETHYLBENZOIC ACID, EN300-68155, Z1259273198,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	315.921g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	316.018g/mol
Monoisotopic Mass	315.921g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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